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Chemistry

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Also known as: 1673571-51-1, Kar5585, Kar-5585, Rodatristat ethyl [usan], 507fy6ol37, 2,8-diazaspiro(4.5)decane-3-carboxylic acid, 8-(2-amino-6-((1r)-1-(5-chloro(1,1'-biphenyl)-2-yl)-2,2,2-trifluoroethoxy)-4-pyrimidinyl)-, ethyl ester, (3s)-
Molecular Formula
C29H31ClF3N5O3
Molecular Weight
590.0  g/mol
InChI Key
TZSZZENYCISATO-WIOPSUGQSA-N
FDA UNII
507FY6OL37

Rodatristat Ethyl
1 2D Structure

Rodatristat Ethyl

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
ethyl (3S)-8-[2-amino-6-[(1R)-1-(4-chloro-2-phenylphenyl)-2,2,2-trifluoroethoxy]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylate
2.1.2 InChI
InChI=1S/C29H31ClF3N5O3/c1-2-40-26(39)22-16-28(17-35-22)10-12-38(13-11-28)23-15-24(37-27(34)36-23)41-25(29(31,32)33)20-9-8-19(30)14-21(20)18-6-4-3-5-7-18/h3-9,14-15,22,25,35H,2,10-13,16-17H2,1H3,(H2,34,36,37)/t22-,25+/m0/s1
2.1.3 InChI Key
TZSZZENYCISATO-WIOPSUGQSA-N
2.1.4 Canonical SMILES
CCOC(=O)C1CC2(CCN(CC2)C3=CC(=NC(=N3)N)OC(C4=C(C=C(C=C4)Cl)C5=CC=CC=C5)C(F)(F)F)CN1
2.1.5 Isomeric SMILES
CCOC(=O)[C@@H]1CC2(CCN(CC2)C3=CC(=NC(=N3)N)O[C@H](C4=C(C=C(C=C4)Cl)C5=CC=CC=C5)C(F)(F)F)CN1
2.2 Other Identifiers
2.2.1 UNII
507FY6OL37
2.3 Synonyms
2.3.1 MeSH Synonyms

1. (3s)-8-(2-amino-6-((1r)-1-(5-chloro(1,1'-biphenyl)-2-yl)-2,2,2-trifluoroethoxy)-4-pyrimidinyl)-2,8-diazaspiro(4.5)decane-3-carboxylic Acid

2. 2,8-diazaspiro(4.5)decane-3-carboxylic Acid, 8-(2-amino-6-((1r)-1-(5-chloro(1,1'-biphenyl)-2-yl)-2,2,2-trifluoroethoxy)-4-pyrimidinyl)-, (3s)-

3. Kar5585

4. Rodatristat

2.3.2 Depositor-Supplied Synonyms

1. 1673571-51-1

2. Kar5585

3. Kar-5585

4. Rodatristat Ethyl [usan]

5. 507fy6ol37

6. 2,8-diazaspiro(4.5)decane-3-carboxylic Acid, 8-(2-amino-6-((1r)-1-(5-chloro(1,1'-biphenyl)-2-yl)-2,2,2-trifluoroethoxy)-4-pyrimidinyl)-, Ethyl Ester, (3s)-

7. Rodatristat Ethyl (usan)

8. Ethyl (3s)-8-(2-amino-6-((1r)-1-(5-chloro(1,1'-biphenyl)-2-yl)-2,2,2-trifluoroethoxy)pyrimidin-4-yl)-2,8-diazaspiro(4.5)decane-3-carboxylate

9. Ethyl (3s)-8-[2-amino-6-[(1r)-1-(4-chloro-2-phenylphenyl)-2,2,2-trifluoroethoxy]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylate

10. Ethyl (s)-8-(2-amino-6-((r)-1-(5-chloro-[1,1'-biphenyl]-2-yl)-2,2,2-trifluoroethoxy)pyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylate

11. Unii-507fy6ol37

12. Chembl4069704

13. Schembl16573975

14. Gtpl10646

15. Rvt-1201

16. Compound 15b [pmid: 28041831]

17. Hy-101124

18. Cs-0020885

19. D11318

20. (s)-ethyl 8-(2-amino-6-((r)-1-(5-chloro-[1,1'-biphenyl]-2-yl)-2,2,2-trifluoroethoxy)pyrimidin-4-yl)-2,8-diazaspiro[4.5]decane-3-carboxylate

2.4 Create Date
2015-11-23
3 Chemical and Physical Properties
Molecular Weight 590.0 g/mol
Molecular Formula C29H31ClF3N5O3
XLogP36.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count8
Exact Mass589.2067520 g/mol
Monoisotopic Mass589.2067520 g/mol
Topological Polar Surface Area103 Ų
Heavy Atom Count41
Formal Charge0
Complexity871
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

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ABOUT THIS PAGE

Rodatristat Ethyl Manufacturers

A Rodatristat Ethyl manufacturer is defined as any person or entity involved in the manufacture, preparation, processing, compounding or propagation of Rodatristat Ethyl, including repackagers and relabelers. The FDA regulates Rodatristat Ethyl manufacturers to ensure that their products comply with relevant laws and regulations and are safe and effective to use. Rodatristat Ethyl API Manufacturers are required to adhere to Good Manufacturing Practices (GMP) to ensure that their products are consistently manufactured to meet established quality criteria.

Rodatristat Ethyl Suppliers

A Rodatristat Ethyl supplier is an individual or a company that provides Rodatristat Ethyl active pharmaceutical ingredient (API) or Rodatristat Ethyl finished formulations upon request. The Rodatristat Ethyl suppliers may include Rodatristat Ethyl API manufacturers, exporters, distributors and traders.

Rodatristat Ethyl GMP

Rodatristat Ethyl Active pharmaceutical ingredient (API) is produced in GMP-certified manufacturing facility.

GMP stands for Good Manufacturing Practices, which is a system used in the pharmaceutical industry to make sure that goods are regularly produced and monitored in accordance with quality standards. The FDA’s current Good Manufacturing Practices requirements are referred to as cGMP or current GMP which indicates that the company follows the most recent GMP specifications. The World Health Organization (WHO) has its own set of GMP guidelines, called the WHO GMP. Different countries can also set their own guidelines for GMP like China (Chinese GMP) or the EU (EU GMP).

PharmaCompass offers a list of Rodatristat Ethyl GMP manufacturers, exporters & distributors, which can be sorted by USDMF, JDMF, KDMF, CEP (COS), WC, API price, and more, enabling you to easily find the right Rodatristat Ethyl GMP manufacturer or Rodatristat Ethyl GMP API supplier for your needs.

Rodatristat Ethyl CoA

A Rodatristat Ethyl CoA (Certificate of Analysis) is a formal document that attests to Rodatristat Ethyl's compliance with Rodatristat Ethyl specifications and serves as a tool for batch-level quality control.

Rodatristat Ethyl CoA mostly includes findings from lab analyses of a specific batch. For each Rodatristat Ethyl CoA document that a company creates, the USFDA specifies specific requirements, such as supplier information, material identification, transportation data, evidence of conformity and signature data.

Rodatristat Ethyl may be tested according to a variety of international standards, such as European Pharmacopoeia (Rodatristat Ethyl EP), Rodatristat Ethyl JP (Japanese Pharmacopeia) and the US Pharmacopoeia (Rodatristat Ethyl USP).

Inform the supplier about your product requirements, specifying if you need a product with particular monograph like EP (Ph. Eur.), USP, JP, BP, or any other quality. In addition, clarify whether you need hydrochloride (HCl), anhydricum, base, micronisatum or a specific level of purity. To find reputable suppliers, utilize the filters and select those certified by GMP, FDA, or any other certification as per your requirement.
For your convenience, we have listed synonyms and CAS numbers to help you find the best supplier. The use of synonyms and CAS numbers can be helpful in identifying potential suppliers, but it is crucial to note that they might not always indicate the exact same product. It is important to confirm the product details with the supplier before making a purchase to ensure that it meets your requirements.
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